CID 50009

Carbonic acid, butyl-p-iodobenzyl ester

Structural Information

Molecular Formula
C12H15IO3
SMILES
CCCCOC(=O)OCC1=CC=C(C=C1)I
InChI
InChI=1S/C12H15IO3/c1-2-3-8-15-12(14)16-9-10-4-6-11(13)7-5-10/h4-7H,2-3,8-9H2,1H3
InChIKey
WKIGLQGNJCDLHS-UHFFFAOYSA-N
Compound name
butyl (4-iodophenyl)methyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.0066 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.01388 162.0
[M+Na]+ 356.99582 166.0
[M+NH4]+ 352.04042 164.9
[M+K]+ 372.96976 162.7
[M-H]- 332.99932 156.9
[M+Na-2H]- 354.98127 154.6
[M]+ 334.00605 159.9
[M]- 334.00715 159.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.